TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.79 | Formula: C18H17ClF2N2O2
H donors: 1 H acceptors: 2 LogP: 4.36 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1C(=O)N(C(C)(C)C)NC(=O)c1c(F)cccc1F
InChi: 1S/C18H17ClF2N2O2/c1-18(2,3)23(17(25)11-7-4-5-8-12(11)19)22-16(24)15-13(20)9-6-10-14(15)21/h4-10H,1-3H3,(H,22,24)
InChiKey: RNDUSDUGMOKDRL-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	histone deacetylase 3	0.0072	0.0403	0.0403
Trichomonas vaginalis	histone deacetylase, putative	0.0072	0.0403	0.0354
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0108	0.067	0.5986
Trypanosoma brucei	Triglyceride lipase, putative	0.0026	0.0052	0.0037
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0058	0.0299	0.0285
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0072	0.0403	0.0354
Leishmania major	histone deacetylase, putative	0.0072	0.0403	0.039
Trypanosoma cruzi	lipase domain protein, putative	0.0026	0.0052	0.0037
Toxoplasma gondii	aminopeptidase N protein	0.0058	0.0299	0.7314
Trypanosoma cruzi	hypothetical protein, conserved	0.1344	1	1
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0456	0.3298	0.3298
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0058	0.0299	0.0285
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0058	0.0299	0.0299
Plasmodium vivax	hypothetical protein, conserved	0.0026	0.0052	0.0962
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0058	0.0299	0.0285
Trypanosoma cruzi	histone deacetylase 1, putative	0.0072	0.0403	0.039
Leishmania major	lipase precursor-like protein	0.0026	0.0052	0.0037
Brugia malayi	Peptidase family M1 containing protein	0.0166	0.111	0.1098
Trichomonas vaginalis	histone deacetylase, putative	0.0072	0.0403	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0403	0.0403
Leishmania major	hypothetical protein, unknown function	0.0026	0.0052	0.0037
Brugia malayi	Peptidase family M1 containing protein	0.0058	0.0299	0.0285
Leishmania major	lipase, putative	0.0026	0.0052	0.0037
Onchocerca volvulus		0.0026	0.0052	0.0037
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0072	0.0403	0.0354
Trypanosoma brucei	Aminopeptidase M1, putative	0.0166	0.111	0.1098
Trypanosoma cruzi	lipase domain protein, putative	0.0026	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0299	0.0299
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0166	0.111	1
Trypanosoma brucei	Triglyceride lipase, putative	0.0026	0.0052	0.0037
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0058	0.0299	0.2597
Loa Loa (eye worm)	hypothetical protein	0.0108	0.067	0.067
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0058	0.0299	0.0285
Trypanosoma brucei	triacylglycerol lipase, putative	0.0026	0.0052	0.0037
Echinococcus granulosus	aminopeptidase N	0.0563	0.411	0.4101
Giardia lamblia	Histone deacetylase	0.0072	0.0403	1
Toxoplasma gondii	lipase	0.0026	0.0052	0.0962
Schistosoma mansoni	histone deacetylase	0.0072	0.0403	0.3551
Trypanosoma cruzi	Lipase (class 3), putative	0.0026	0.0052	0.0037
Toxoplasma gondii	histone deacetylase HDAC3	0.0072	0.0403	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0058	0.0299	0.0285
Echinococcus multilocularis	aminopeptidase N	0.0563	0.411	0.4101
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0299	0.0299
Loa Loa (eye worm)	histone deacetylase 11	0.0021	0.0014	0.0014
Trypanosoma cruzi	histone deacetylase 1, putative	0.0072	0.0403	0.039
Trypanosoma brucei	lipase, putative	0.0026	0.0052	0.0037
Toxoplasma gondii	aminopeptidase N, putative	0.0058	0.0299	0.7314
Brugia malayi	Peptidase family M1 containing protein	0.0563	0.411	0.4101
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0058	0.0299	0.2597
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0166	0.111	0.1064
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0058	0.0299	0.7314
Trypanosoma brucei	Aminopeptidase M1, putative	0.0166	0.111	0.1098
Schistosoma mansoni	histone deacetylase	0.0072	0.0403	0.3551
Toxoplasma gondii	lipase	0.0026	0.0052	0.0962
Trichomonas vaginalis	histone deacetylase, putative	0.0072	0.0403	0.0354
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0058	0.0299	0.7314
Leishmania major	hypothetical protein, conserved	0.0026	0.0052	0.0037
Mycobacterium ulcerans	aminopeptidase N PepN	0.0166	0.111	1
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Trypanosoma cruzi	Triglyceride lipase, putative	0.0026	0.0052	0.0037
Brugia malayi	histone deacetylase 3 (HD3)	0.0072	0.0403	0.039
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0058	0.0299	0.2597
Brugia malayi	histone deacetylase 1 (HD1)	0.0072	0.0403	0.039
Leishmania major	hypothetical protein, conserved	0.0026	0.0052	0.0037
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0058	0.0299	0.0285
Leishmania major	hypothetical protein, unknown function	0.0026	0.0052	0.0037
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Trypanosoma cruzi	lipase-like protein, putative	0.0026	0.0052	0.0037
Brugia malayi	Lipase family protein	0.0026	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0191	0.0191
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Trypanosoma brucei	lipase domain protein, putative	0.1344	1	1
Brugia malayi	TATA binding protein associated factor	0.0058	0.0299	0.0285
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0058	0.0299	0.7314
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0058	0.0299	0.0248
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0166	0.111	0.1098
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0052	0.0037
Plasmodium falciparum	lipase, putative	0.0026	0.0052	0.0962
Onchocerca volvulus		0.0563	0.411	0.4101
Loa Loa (eye worm)	histone deacetylase 7A	0.0021	0.0014	0.0014
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0058	0.0299	0.0285
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0058	0.0299	0.7314
Echinococcus multilocularis	Tolloid protein 1	0.0046	0.0205	0.0191
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0052	0.0037
Leishmania major	lipase, putative;with=GeneDB:LinJ31_V3.0860	0.0026	0.0052	0.0037
Loa Loa (eye worm)	TATA binding protein associated factor	0.0058	0.0299	0.0299
Loa Loa (eye worm)	aminopeptidase N	0.0166	0.111	0.111
Loa Loa (eye worm)	hypothetical protein	0.0108	0.067	0.067
Toxoplasma gondii	lipase	0.0026	0.0052	0.0962
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Loa Loa (eye worm)	lipase	0.0026	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0398	0.2858	0.2858
Entamoeba histolytica	aminopeptidase, putative	0.0166	0.111	1
Loa Loa (eye worm)	lipase	0.1344	1	1
Trypanosoma brucei	lipase domain protein, putative	0.0026	0.0052	0.0037
Trichomonas vaginalis	histone deacetylase, putative	0.0072	0.0403	0.0354
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0108	0.067	0.0657
Onchocerca volvulus		0.0026	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0299	0.0299
Schistosoma mansoni	lipase	0.0026	0.0052	0.0342
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0166	0.111	0.1098
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.1344	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0058	0.0299	0.0285
Trypanosoma cruzi	aminopeptidase, putative	0.0166	0.111	0.1098
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0052	0.0037
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Onchocerca volvulus		0.0058	0.0299	0.0285
Toxoplasma gondii	histone deacetylase HDAC2	0.0072	0.0403	1
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Trypanosoma cruzi	aminopeptidase, putative	0.0058	0.0299	0.0285
Echinococcus granulosus	histone deacetylase 3	0.0072	0.0403	0.039
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0058	0.0299	0.0285
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.1344	1	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0505	0.367	0.367
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0058	0.0299	0.0285
Trichomonas vaginalis	lipase containing protein, putative	0.1344	1	1
Onchocerca volvulus		0.0026	0.0052	0.0037
Echinococcus granulosus	Tolloid protein 1	0.0046	0.0205	0.0191
Toxoplasma gondii	lipase	0.0026	0.0052	0.0962
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0046	0.0205	0.0205
Trypanosoma cruzi	hypothetical protein, conserved	0.1344	1	1
Trypanosoma cruzi	lipase, putative	0.0026	0.0052	0.0037
Echinococcus multilocularis	histone deacetylase 3	0.0072	0.0403	0.039
Trichomonas vaginalis	lipase containing protein, putative	0.1344	1	1
Leishmania major	hypothetical protein, conserved	0.1344	1	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0166	0.111	0.1098
Loa Loa (eye worm)	AStacin protease	0.0029	0.0075	0.0075
Trypanosoma brucei	aminopeptidase, putative	0.0058	0.0299	0.0285
Leishmania major	hypothetical protein, conserved	0.0026	0.0052	0.0037
Leishmania major	class 3 lipase, putative	0.0026	0.0052	0.0037
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0026	0.0052	0.0037
Echinococcus multilocularis	histone deacetylase 1	0.0072	0.0403	0.039
Trypanosoma brucei	histone deacetylase 1	0.0072	0.0403	0.039
Trichomonas vaginalis	histone deacetylase, putative	0.0072	0.0403	0.0354
Toxoplasma gondii	aminopeptidase n, putative	0.0058	0.0299	0.7314
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Plasmodium falciparum	histone deacetylase 1	0.0072	0.0403	1
Loa Loa (eye worm)	histone deacetylase	0.0021	0.0014	0.0014
Brugia malayi	hypothetical protein	0.0058	0.0299	0.0285
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0166	0.111	1
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0046	0.0205	0.1741
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0166	0.111	0.1098
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0166	0.111	0.1064
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0026	0.0052	0.0037
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0166	0.111	0.1098
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0166	0.111	0.1098
Brugia malayi	Histone deacetylase 1	0.0072	0.0403	0.039
Brugia malayi	Lipase family protein	0.0026	0.0052	0.0037
Onchocerca volvulus		0.1344	1	1
Entamoeba histolytica	histone deacetylase, putative	0.0072	0.0403	0.3323
Loa Loa (eye worm)	lipase	0.0026	0.0052	0.0052
Onchocerca volvulus		0.0166	0.111	0.1098
Brugia malayi	Lipase family protein	0.0026	0.0052	0.0037
Brugia malayi	hypothetical protein	0.0166	0.111	0.1098
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0166	0.111	0.1098
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0072	0.0403	0.0354
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0108	0.067	0.0657
Trichomonas vaginalis	histone deacetylase, putative	0.0072	0.0403	0.0354
Loa Loa (eye worm)	histone deacetylase 1	0.0072	0.0403	0.0403
Plasmodium vivax	histone deacetylase 1, putative	0.0072	0.0403	1
Leishmania major	histone deacetylase, putative	0.0072	0.0403	0.039
Echinococcus granulosus	histone deacetylase 1	0.0072	0.0403	0.039
Trypanosoma brucei	Lipase (class 3), putative	0.0026	0.0052	0.0037
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.0052	0.0037
Brugia malayi	Lipase family protein	0.0026	0.0052	0.0037
Trypanosoma brucei	lipase domain protein, putative	0.1344	1	1
Trypanosoma brucei	lipase-like protein, putative	0.0026	0.0052	0.0037
Leishmania major	lipase domain protein, putative	0.0026	0.0052	0.0037

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 4	Agonist activity at ecdysone receptor in Drosophila melanogaster Kc cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340
Efficacy (binding)	= 23 %	Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells at 100 uM after 24 hr by luciferase reporter gene assay relative to 20-hydroxyecdysone	ChEMBL.	20672340
Efficacy (binding)	= 35 %	Agonist activity at ecdysone receptor in Drosophila melanogaster Kc cells at 100 uM after 24 hr by luciferase reporter gene assay relative to 20-hydroxyecdysone	ChEMBL.	20672340
Inhibition (binding)	= 4.2 %	Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side at 30 uM preincubated for 30 mins followed by quinidine addition to apical side measured after 60 mins	ChEMBL.	27262425

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2286464

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1801246